SCHEMBL20175939

SCHEMBL20175939

Cc1ccccc1CN(CCO)CCN(CO)Cc1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
HTR1A P08908 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSPA5 P11021 1/20 0.35
PRKCI P41743 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20175943 0.94 MAPT (0.47) MAPTHTR1AMEN1KMT2AALDH1A1
SCHEMBL20175944 0.90 MAPT (0.43) MAPTHTR1AMEN1KMT2AALDH1A1
SCHEMBL20175934 0.89 BCHE (0.45) MAPTHTR1AMEN1KMT2AALDH1A1
SCHEMBL20175936 0.86 MAPT (0.43) MAPTHTR1ASMN1; SMN2MEN1KMT2A
SCHEMBL20175938 0.85 BCHE (0.42) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL20180914 0.84 HSPA5 (0.48) HTR1AMEN1KMT2AHSPA5PRKCI
SCHEMBL30589673 0.84 SMN1; SMN2 (0.49) HTR1ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20175935 0.83 BCHE (0.46) MAPTHTR1AMEN1KMT2AALDH1A1
SCHEMBL17264228 0.82 MAPT (0.50) MAPTHTR1AMEN1KMT2AALDH1A1
SCHEMBL20175931 0.81 ACHE (0.52) MAPTBCHEACHEHSP90AA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF FECH, SLC19A1, SLC40A1 MAPT 3805/4885HTR1A 1408/4885SMN1; SMN2 641/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.